ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine

C17H33N3 — CID 142358661

IUPACethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine
SMILESCC.CC1=C(/N=C(\C)C(C)C)CCN(C2CN(C)C2)C1
InChIInChI=1S/C15H27N3.C2H6/c1-11(2)13(4)16-15-6-7-18(8-12(15)3)14-9-17(5)10-14;1-2/h11,14H,6-10H2,1-5H3;1-2H3/b16-13+;
InChIKeyWDHACIHPGJXSSF-ZUQRMPMESA-N
MW279.47 g/mol
LogP3.42
Rot. Bonds3

About ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine

ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine (PubChem CID 142358661) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine.

Molecular Properties

Compound Nameethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine
PubChem CID142358661
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Nameethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine
SMILESCC.CC1=C(/N=C(\C)C(C)C)CCN(C2CN(C)C2)C1
InChIInChI=1S/C15H27N3.C2H6/c1-11(2)13(4)16-15-6-7-18(8-12(15)3)14-9-17(5)10-14;1-2/h11,14H,6-10H2,1-5H3;1-2H3/b16-13+;
InChIKeyWDHACIHPGJXSSF-ZUQRMPMESA-N
XLogP3.42
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine?
The IUPAC name of ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine (CID 142358661) is ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine.
What is the SMILES notation for ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine?
The canonical SMILES for ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine is CC.CC1=C(/N=C(\C)C(C)C)CCN(C2CN(C)C2)C1.
What is the InChIKey of ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine?
The InChIKey is WDHACIHPGJXSSF-ZUQRMPMESA-N. The full InChI is InChI=1S/C15H27N3.C2H6/c1-11(2)13(4)16-15-6-7-18(8-12(15)3)14-9-17(5)10-14;1-2/h11,14H,6-10H2,1-5H3;1-2H3/b16-13+;.
What are the key properties of ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine?
ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine has a molecular weight of 279.47 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-[5-methyl-1-(1-methylazetidin-3-yl)-3,6-dihydro-2H-pyridin-4-yl]butan-2-imine is sourced from PubChem (CID 142358661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).